Materials Data on UCuPO by Materials Project

doi:10.17188/1195490

Title: Materials Data on UCuPO by Materials Project

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Abstract

UCuPO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U4+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent O2- atoms. All U–P bond lengths are 2.96 Å. All U–O bond lengths are 2.31 Å. Cu1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.38 Å. P3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent Cu1+ atoms. O2- is bonded to four equivalent U4+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-20370

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; UCuPO; Cu-O-P-U

OSTI Identifier:: 1195490

DOI:: https://doi.org/10.17188/1195490

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                    The Materials Project. Materials Data on UCuPO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195490.

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                    The Materials Project. Materials Data on UCuPO by Materials Project.  United States.  doi:https://doi.org/10.17188/1195490

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                    The Materials Project. 2020.  
"Materials Data on UCuPO by Materials Project".  United States.  doi:https://doi.org/10.17188/1195490.  https://www.osti.gov/servlets/purl/1195490. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195490,

  title        = {Materials Data on UCuPO by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UCuPO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U4+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent O2- atoms. All U–P bond lengths are 2.96 Å. All U–O bond lengths are 2.31 Å. Cu1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.38 Å. P3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent Cu1+ atoms. O2- is bonded to four equivalent U4+ atoms to form a mixture of edge and corner-sharing OU4 tetrahedra.},

  doi          = {10.17188/1195490},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1195490

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